UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

19884370
19884370

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Popular Name: (3S)-3-(1H-indazol-7-ylamino)-5-methyl-indolin-2-one (3S)-3-(1H-indazol-7-ylamino)-5-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.43 4.08 -9.35 3 5 0 70 278.315 2 ↓

Analogs

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Popular Name: (3S)-3-(1H-indazol-7-ylamino)indolin-2-one (3S)-3-(1H-indazol-7-ylamino)ind…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.01 3.41 -9.59 3 5 0 70 264.288 2 ↓

Analogs

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Popular Name: (3R)-6-bromo-3-(1H-indazol-7-ylamino)indolin-2-one (3R)-6-bromo-3-(1H-indazol-7-yla…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.80 4.04 -8.81 3 5 0 70 343.184 2 ↓

Analogs

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Popular Name: (3R)-5-fluoro-3-(1H-indazol-7-ylamino)indolin-2-one (3R)-5-fluoro-3-(1H-indazol-7-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.15 3.49 -9.63 3 5 0 70 282.278 2 ↓

Analogs

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Popular Name: (3R)-5-chloro-3-(1H-indazol-7-ylamino)indolin-2-one (3R)-5-chloro-3-(1H-indazol-7-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.66 3.95 -9.13 3 5 0 70 298.733 2 ↓

Analogs

19884476
19884476

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Popular Name: (3R)-4-bromo-3-(1H-indazol-7-ylamino)indolin-2-one (3R)-4-bromo-3-(1H-indazol-7-yla…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.77 4.02 -9.84 3 5 0 70 343.184 2 ↓

Analogs

19964959
19964959

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Popular Name: (3R)-5-bromo-3-(1H-indazol-7-ylamino)indolin-2-one (3R)-5-bromo-3-(1H-indazol-7-yla…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.80 4.05 -9.06 3 5 0 70 343.184 2 ↓

Analogs

20542955
20542955
19884464
19884464
20542617
20542617
20132703
20132703

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Popular Name: (3R)-6-fluoro-3-(1H-indazol-7-ylamino)indolin-2-one (3R)-6-fluoro-3-(1H-indazol-7-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.15 3.5 -9.28 3 5 0 70 282.278 2 ↓

Parameters Provided:

ring.id = 147174
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 147174 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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